General Information of the Compound
| Compound ID |
CP0303239
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| Compound Name |
4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one
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| Structure |
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| Formula |
C26H26N4O3
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| Molecular Weight |
442.519
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| Canonical SMILES |
O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
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| InChI |
InChI=1S/C26H26N4O3/c31-26-24-20-5-4-18-16-28-23(15-21(18)25(20)29-22(24)6-7-27-26)17-2-1-3-19(14-17)33-13-10-30-8-11-32-12-9-30/h1-5,14-16,29H,6-13H2,(H,27,31)
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| InChIKey |
FRZMEKOENCSLON-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound